UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13731559
13731559
13723193
13723193

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.64 9.26 -14.41 0 6 0 61 413.429 3 ↓
Lo Low (pH 4.5-6) 4.64 12.12 -51.64 1 6 1 62 414.437 3 ↓

Analogs

20403810
20403810
20934016
20934016

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1,3-benzodioxol-5-ylmethyl)-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.01 9.68 -14.79 0 6 0 61 427.456 3 ↓
Lo Low (pH 4.5-6) 5.01 12.54 -51.87 1 6 1 62 428.464 3 ↓

Analogs

13731559
13731559

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.32 9.78 -14.1 0 6 0 61 447.874 3 ↓
Lo Low (pH 4.5-6) 5.32 12.65 -52.5 1 6 1 62 448.882 3 ↓

Analogs

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin- 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.69 10.2 -14.1 0 6 0 61 461.901 3 ↓
Lo Low (pH 4.5-6) 5.69 13.06 -52.53 1 6 1 62 462.909 3 ↓

Analogs

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 8.56 -15.19 0 7 0 70 443.455 4 ↓
Lo Low (pH 4.5-6) 4.70 11.41 -53.11 1 7 1 72 444.463 4 ↓

Analogs

20403810
20403810
20934016
20934016

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.07 8.98 -15.41 0 7 0 70 457.482 4 ↓
Lo Low (pH 4.5-6) 5.07 11.83 -53.16 1 7 1 72 458.49 4 ↓

Analogs

13723193
13723193
30822689
30822689
13731559
13731559

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 8.46 -17.67 0 8 0 80 473.481 5 ↓
Lo Low (pH 4.5-6) 4.29 11.32 -56.29 1 8 1 81 474.489 5 ↓

Analogs

12442411
12442411
22935525
22935525
13692461
13692461

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzox 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.66 8.9 -18.23 0 8 0 80 487.508 5 ↓
Lo Low (pH 4.5-6) 4.66 11.75 -56.56 1 8 1 81 488.516 5 ↓

Analogs

13692004
13692004
12442395
12442395
12442456
12442456

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 7.9 -16.97 0 8 0 80 473.481 5 ↓
Lo Low (pH 4.5-6) 4.68 10.76 -53.96 1 8 1 81 474.489 5 ↓

Analogs

12442399
12442399
12442413
12442413

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Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 9-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 7.89 -16.83 0 8 0 80 473.481 5 ↓
Lo Low (pH 4.5-6) 4.68 10.75 -53.24 1 8 1 81 474.489 5 ↓

Parameters Provided:

ring.id = 564659
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 564659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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